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Center for Nanophase Materials Sciences

3 papers here671 citations across 3
fields
  • physics.chem-ph2
  • cond-mat.mtrl-sci1
ROR 01wass480OpenAlex

affiliations via OpenAlex

most citedThe unique chemical reactivity of a graphene nanoribbon's zigzag edge

471 citations

researchers with a paper here
  • B. Sumpter2
  • D. Jiang2
  • S. Dai2
  • A. Baddorf1 · h 44
  • B. Rodriguez1
  • K. Seal1
  • Sergei V. Kalinin1 · h 106
  • S. Jesse1
collaborating institutions
  • Oak Ridge National LaboratoryUS3 papers
Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2009★ 22 cited

A Fast and Efficient Algorithm for Slater Determinant Updates in Quantum Monte Carlo Simulations

Phani K. V. V. Nukala, P. R. C. Kent

We present an efficient low-rank updating algorithm for updating the trial wavefunctions used in Quantum Monte Carlo (QMC) simulations. The algorithm is based on low-rank updating…

cond-mat.mtrl-sci2008★ 5 cited

Resolution-dependent mechanisms for bimodal switching-time distributions in simulated Fe nanopillars

S. H. Thompson, G. Brown, A. Kuhnle +2

We study the magnetization-switching statistics following reversal of the applied field for three separate computational models representing the same physical system, an iron nanop…

cond-mat.mtrl-sci2007★ 9 cited

Direct Measurement of Periodic Electric Forces in Liquids

B. J. Rodriguez, S. Jesse, K. Seal +2

The electric forces acting on an atomic force microscope tip in solution have been measured using a microelectrochemical cell formed by two periodically biased electrodes. The forc…

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